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Published June 18, 2021 | Version v1
Journal article Open

Research data supporting: "Understanding functional group and assembly dynamics in temperature responsive systems leads to design principles for enzyme responsive assemblies"

  • 1. University of Massachusetts
  • 2. Politecnico di Torino
  • 3. Politecnico di Torino, University of Applied Sciences and Arts of Southern Switzerland

Description

This repository contains the set of data shown in the paper "Understanding functional group and assembly dynamics in temperature responsive systems leads to design principles for enzyme responsive assemblies", published on Nanoscale (DOI: 10.1039/D1NR02000E).

 

Understanding the molecular rules behind the dynamics of supramolecular assemblies is fundamentally important for the rational design of responsive assemblies with tunable properties. Herein, we report that the dynamics of temperature-sensitive supramolecular assemblies is not only affected by the dehydration of oligoethylene glycol (OEG) motifs, but also by the thermally-promoted molecular motions. These counteracting features set up a dynamics transition point (DTP) that can be modulated with subtle variations in a small hydrophobic patch on the hydrophilic face of the amphiphilic assembly. Understanding the structural factors that control the dynamics of the assemblies leads to rational design of enzyme-responsive assemblies with tunable temperature responsive profiles.

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TSensitiveSupramolecularAssembly.zip

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Additional details

Funding

Multiscale Modeling of Self-Assembled Polymeric Nanocarriers Responding to Specific Protein Stimuli 200021_175735
Swiss National Science Foundation
DYNAPOL – Modeling approaches toward bioinspired dynamic materials 818776
European Commission